3-[(3-methylsulfanyl-1-naphthalen-1-yl-pyrazolo[3,4-d]pyrimidin-4-yl)-(phenylmethyl)amino]propan-1-ol

Systemtic Name: 3-[(3-methylsulfanyl-1-naphthalen-1-yl-pyrazolo[3,4-d]pyrimidin-4-yl)-(phenylmethyl)amino]propan-1-ol Openeye Name: 3-[benzyl-[3-methylsulfanyl-1-(1-naphthyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol CAS Name: 3-[[3-(methylthio)-1-(1-naphthalenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-(phenylmethyl)amino]-1-propanol IUPAC Name: 3-[benzyl-(3-methylsulfanyl-1-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol Traditional Name: 3-[benzyl-[3-(methylthio)-1-(1-naphthyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol Formula: C26H25N5OS MolecularWeight: 455.5746

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C2=C1C(=NC=N2)N(CCCO)CC3=CC=CC=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CSC1=NN(C2=C1C(=NC=N2)N(CCCO)CC3=CC=CC=C3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H25N5OS/c1-33-26-23-24(30(15-8-16-32)17-19-9-3-2-4-10-19)27-18-28-25(23)31(29-26)22-14-7-12-20-11-5-6-13-21(20)22/h2-7,9-14,18,32H,8,15-17H2,1H3